C880-1498 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

C880-1498 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide
C880-1498 Screening compound: 2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C880-1498
2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C880-1498

Molecular Formula

C27H31N5O3 (C27 H31 N5 O3)

Compound Name

2-{5-[(2,5-dimethylphenyl)methyl]-4-oxo-3H,4H,5H-pyridazino[4,5-b]indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

IUPAC name

2-{5-[(25-dimethylphenyl)methyl]-4-oxo-3H4H5H-pyridazino[45-b]indol-3-yl}-N-[2-(morpholin-4-yl)ethyl]acetamide

SMILES

Cc1cc(Cn2c(C(N(CC(NCCN3CCOCC3)=O)N=C3)=O)c3c3c2cccc3)c(C)cc1

InChI

InChI=1S/C27H31N5O3/c1-19-7-8-20(2)21(15-19)17-31-24-6-4-3-5-22(24)23-16-29-32(27(34)26(23)31)18-25(33)28-9-10-30-11-13-35-14-12-30/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,28,33)

InChI Key

DGVYCBPRIQOJAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.899

Water Solubility, LogSw

-3.01

Polar Surface Area

65.276

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

C880-1498 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with C880-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C880-1498?
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What is the minimum amount of C880-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C880-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C880-1498
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C880-1498 available by request